Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2967805 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL2958642 | 0.75 | ALDH1A1 (0.35) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL725861 | 0.74 | ALDH1A1 (0.49) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL2965438 | 0.74 | ALDH1A1 (0.45) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL27726433 | 0.74 | ALDH1A1 (0.40) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL725985 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL10342242 | 0.72 | DHFR (0.39) | ALDH1A1CYP1A2ALOX15HIF1AHSD17B10 | |
| SCHEMBL2963613 | 0.70 | DHFR (0.38) | ALDH1A1CYP3A4CYP1A2TP53ALOX15 | |
| SCHEMBL2970690 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL727589 | 0.69 | ALDH1A1 (0.44) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1868987-A1 | DIIMINES AND SECONDARY DIAMINES | ALBEMARLE CORPORATION (US) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006104528-A1 | DIIMINES AND SECONDARY DIAMINES | ALBEMARLE CORPORATION (US) | 2006-10-05 | — | — | WO | disclosed |